CID 15389443

3-(piperidin-3-yl)-1h-indole hydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CC(CNC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-6-13-11(5-1)12(9-15-13)10-4-3-7-14-8-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2
InChIKey
NSTKAVLBVZXAHE-UHFFFAOYSA-N
Compound name
3-piperidin-3-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

200.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.2
[M+Na]+ 223.12057 150.7
[M-H]- 199.12407 145.9
[M+NH4]+ 218.16517 161.8
[M+K]+ 239.09451 144.7
[M+H-H2O]+ 183.12861 136.3
[M+HCOO]- 245.12955 161.0
[M+CH3COO]- 259.14520 155.2
[M+Na-2H]- 221.10602 149.4
[M]+ 200.13080 137.4
[M]- 200.13190 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe